(4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one

C45H58N12O4 — CID 144922937

IUPAC(4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2cnn(C3CCN(C)CC3)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C23H30N6O2.C22H28N6O2/c1-15(17-10-23(30)24-11-17)31-22-9-16(8-21-20(22)14-28(3)26-21)18-12-25-29(13-18)19-4-6-27(2)7-5-19;1-14(16-9-22(29)24-10-16)30-21-8-15(7-20-19(21)13-27(2)26-20)17-11-25-28(12-17)18-3-5-23-6-4-18/h8-9,12-15,17,19H,4-7,10-11H2,1-3H3,(H,24,30);7-8,11-14,16,18,23H,3-6,9-10H2,1-2H3,(H,24,29)/t15-,17-;14-,16-/m11/s1
InChIKeyHNOJLQVHOVHTHY-CCHIHMRMSA-N
MW831.04 g/mol
LogP4.87
Rot. Bonds10

About (4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 144922937) has the molecular formula C45H58N12O4 and a molecular weight of 831.04 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID144922937
Molecular FormulaC45H58N12O4
Molecular Weight831.04 g/mol
Exact Mass830.47
IUPAC Name(4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2cnn(C3CCN(C)CC3)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C23H30N6O2.C22H28N6O2/c1-15(17-10-23(30)24-11-17)31-22-9-16(8-21-20(22)14-28(3)26-21)18-12-25-29(13-18)19-4-6-27(2)7-5-19;1-14(16-9-22(29)24-10-16)30-21-8-15(7-20-19(21)13-27(2)26-20)17-11-25-28(12-17)18-3-5-23-6-4-18/h8-9,12-15,17,19H,4-7,10-11H2,1-3H3,(H,24,30);7-8,11-14,16,18,23H,3-6,9-10H2,1-2H3,(H,24,29)/t15-,17-;14-,16-/m11/s1
InChIKeyHNOJLQVHOVHTHY-CCHIHMRMSA-N
XLogP4.87
TPSA163.21 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.04
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze (4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4R)-4-[(1R)-1-[7-(1-methylindazol-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241911
(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241918
(4R)-4-[(1R)-1-[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241980
(4R)-4-[(1R)-1-[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241988
(4R)-4-[(1R)-1-[7-(1-propylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241989
US9914735, Example 41
CID 118401365
US10155751, Example 1
CID 126664227
(4R)-4-[(1R)-1-[[6-(1-methylpyrazol-4-yl)-2,1-benzothiazol-4-yl]oxy]ethyl]pyrrolidin-2-one
CID 122191642
(4R)-4-[(1R)-1-[[6-[1-(difluoromethyl)pyrazol-4-yl]-2,1-benzothiazol-4-yl]oxy]ethyl]pyrrolidin-2-one
CID 122191644
(4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241984
US9914735, Example 40
CID 118401366
US9914735, Example 38
CID 118401369

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one (CID 144922937) is (4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(-c2cnn(C3CCN(C)CC3)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is HNOJLQVHOVHTHY-CCHIHMRMSA-N. The full InChI is InChI=1S/C23H30N6O2.C22H28N6O2/c1-15(17-10-23(30)24-11-17)31-22-9-16(8-21-20(22)14-28(3)26-21)18-12-25-29(13-18)19-4-6-27(2)7-5-19;1-14(16-9-22(29)24-10-16)30-21-8-15(7-20-19(21)13-27(2)26-20)17-11-25-28(12-17)18-3-5-23-6-4-18/h8-9,12-15,17,19H,4-7,10-11H2,1-3H3,(H,24,30);7-8,11-14,16,18,23H,3-6,9-10H2,1-2H3,(H,24,29)/t15-,17-;14-,16-/m11/s1.
What are the key properties of (4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 831.04 g/mol, XLogP of 4.87, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 144922937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).