(2R,6S)-2,6-dimethyl-4-[6-[6-(1H-pyrazol-5-yl)indazol-1-yl]pyrimidin-4-yl]morpholine

C20H21N7O — CID 171357937

IUPAC(2R,6S)-2,6-dimethyl-4-[6-[6-(1H-pyrazol-5-yl)indazol-1-yl]pyrimidin-4-yl]morpholine
SMILESC[C@@H]1CN(c2cc(-n3ncc4ccc(-c5ccn[nH]5)cc43)ncn2)C[C@H](C)O1
InChIInChI=1S/C20H21N7O/c1-13-10-26(11-14(2)28-13)19-8-20(22-12-21-19)27-18-7-15(17-5-6-23-25-17)3-4-16(18)9-24-27/h3-9,12-14H,10-11H2,1-2H3,(H,23,25)/t13-,14+
InChIKeySSEWSKYCIIGPIN-OKILXGFUSA-N
MW375.44 g/mol
LogP2.82
Rot. Bonds3

About (2R,6S)-2,6-dimethyl-4-[6-[6-(1H-pyrazol-5-yl)indazol-1-yl]pyrimidin-4-yl]morpholine

(2R,6S)-2,6-dimethyl-4-[6-[6-(1H-pyrazol-5-yl)indazol-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 171357937) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-[6-[6-(1H-pyrazol-5-yl)indazol-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-[6-[6-(1H-pyrazol-5-yl)indazol-1-yl]pyrimidin-4-yl]morpholine
PubChem CID171357937
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name(2R,6S)-2,6-dimethyl-4-[6-[6-(1H-pyrazol-5-yl)indazol-1-yl]pyrimidin-4-yl]morpholine
SMILESC[C@@H]1CN(c2cc(-n3ncc4ccc(-c5ccn[nH]5)cc43)ncn2)C[C@H](C)O1
InChIInChI=1S/C20H21N7O/c1-13-10-26(11-14(2)28-13)19-8-20(22-12-21-19)27-18-7-15(17-5-6-23-25-17)3-4-16(18)9-24-27/h3-9,12-14H,10-11H2,1-2H3,(H,23,25)/t13-,14+
InChIKeySSEWSKYCIIGPIN-OKILXGFUSA-N
XLogP2.82
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-[6-[6-(1H-pyrazol-5-yl)indazol-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-[6-[6-(1H-pyrazol-5-yl)indazol-1-yl]pyrimidin-4-yl]morpholine (CID 171357937) is (2R,6S)-2,6-dimethyl-4-[6-[6-(1H-pyrazol-5-yl)indazol-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-[6-[6-(1H-pyrazol-5-yl)indazol-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-[6-[6-(1H-pyrazol-5-yl)indazol-1-yl]pyrimidin-4-yl]morpholine is C[C@@H]1CN(c2cc(-n3ncc4ccc(-c5ccn[nH]5)cc43)ncn2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-[6-[6-(1H-pyrazol-5-yl)indazol-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is SSEWSKYCIIGPIN-OKILXGFUSA-N. The full InChI is InChI=1S/C20H21N7O/c1-13-10-26(11-14(2)28-13)19-8-20(22-12-21-19)27-18-7-15(17-5-6-23-25-17)3-4-16(18)9-24-27/h3-9,12-14H,10-11H2,1-2H3,(H,23,25)/t13-,14+.
What are the key properties of (2R,6S)-2,6-dimethyl-4-[6-[6-(1H-pyrazol-5-yl)indazol-1-yl]pyrimidin-4-yl]morpholine?
(2R,6S)-2,6-dimethyl-4-[6-[6-(1H-pyrazol-5-yl)indazol-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 375.44 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-[6-[6-(1H-pyrazol-5-yl)indazol-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 171357937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).