(4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C21H27N5O2 — CID 91886047

IUPAC(4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1cc2c(O[C@H](C)[C@H]3CNC(=O)C3)cc(-c3cnn(C(C)(C)C)c3)cn2n1
InChIInChI=1S/C21H27N5O2/c1-13-6-18-19(28-14(2)15-8-20(27)22-9-15)7-16(11-25(18)24-13)17-10-23-26(12-17)21(3,4)5/h6-7,10-12,14-15H,8-9H2,1-5H3,(H,22,27)/t14-,15-/m1/s1
InChIKeyHSUHRICJWIVFQN-HUUCEWRRSA-N
MW381.48 g/mol
LogP3.16
Rot. Bonds4

About (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 91886047) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID91886047
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name(4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1cc2c(O[C@H](C)[C@H]3CNC(=O)C3)cc(-c3cnn(C(C)(C)C)c3)cn2n1
InChIInChI=1S/C21H27N5O2/c1-13-6-18-19(28-14(2)15-8-20(27)22-9-15)7-16(11-25(18)24-13)17-10-23-26(12-17)21(3,4)5/h6-7,10-12,14-15H,8-9H2,1-5H3,(H,22,27)/t14-,15-/m1/s1
InChIKeyHSUHRICJWIVFQN-HUUCEWRRSA-N
XLogP3.16
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 91886047) is (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is Cc1cc2c(O[C@H](C)[C@H]3CNC(=O)C3)cc(-c3cnn(C(C)(C)C)c3)cn2n1.
What is the InChIKey of (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is HSUHRICJWIVFQN-HUUCEWRRSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-13-6-18-19(28-14(2)15-8-20(27)22-9-15)7-16(11-25(18)24-13)17-10-23-26(12-17)21(3,4)5/h6-7,10-12,14-15H,8-9H2,1-5H3,(H,22,27)/t14-,15-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 381.48 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 91886047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).