5-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

C19H25N7O — CID 133406956

IUPAC5-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCc1nc(-c2cccnc2)nc(NC2CCC3NNC(C(N)=O)C3C2)c1C
InChIInChI=1S/C19H25N7O/c1-10-11(2)22-19(12-4-3-7-21-9-12)24-18(10)23-13-5-6-15-14(8-13)16(17(20)27)26-25-15/h3-4,7,9,13-16,25-26H,5-6,8H2,1-2H3,(H2,20,27)(H,22,23,24)
InChIKeyYVGIWUIAKUXBOP-UHFFFAOYSA-N
MW367.46 g/mol
LogP1.07
Rot. Bonds4

About 5-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

5-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 133406956) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 5-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID133406956
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name5-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCc1nc(-c2cccnc2)nc(NC2CCC3NNC(C(N)=O)C3C2)c1C
InChIInChI=1S/C19H25N7O/c1-10-11(2)22-19(12-4-3-7-21-9-12)24-18(10)23-13-5-6-15-14(8-13)16(17(20)27)26-25-15/h3-4,7,9,13-16,25-26H,5-6,8H2,1-2H3,(H2,20,27)(H,22,23,24)
InChIKeyYVGIWUIAKUXBOP-UHFFFAOYSA-N
XLogP1.07
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide with MolForge

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Related Compounds

5-[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 133406908
4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060070
5-[(2-pyridin-4-ylquinazolin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 133406969
N-(1,1-dioxothian-4-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 167967042
5-(thieno[2,3-d]pyrimidin-4-ylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 133406930
N-(cyclopropylmethyl)-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133334209
5-[(2-pyrazin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 133406900
5,6-dimethyl-N-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine
CID 96517293
4,5,6-trimethyl-2-pyridin-3-ylpyrimidine
CID 157011344
5-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 133406951
5-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 133406929
N-[2-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 62744074

Frequently Asked Questions

What is the IUPAC name of 5-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The IUPAC name of 5-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 133406956) is 5-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is Cc1nc(-c2cccnc2)nc(NC2CCC3NNC(C(N)=O)C3C2)c1C.
What is the InChIKey of 5-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is YVGIWUIAKUXBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-10-11(2)22-19(12-4-3-7-21-9-12)24-18(10)23-13-5-6-15-14(8-13)16(17(20)27)26-25-15/h3-4,7,9,13-16,25-26H,5-6,8H2,1-2H3,(H2,20,27)(H,22,23,24).
What are the key properties of 5-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
5-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 367.46 g/mol, XLogP of 1.07, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 133406956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).