5-methoxy-N-[(7S)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]pyrimidine-2-carboxamide

C16H21N5O2 — CID 164641333

IUPAC5-methoxy-N-[(7S)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]pyrimidine-2-carboxamide
SMILESCOc1cnc(C(=O)N[C@H]2CCCc3cnn(C(C)C)c32)nc1
InChIInChI=1S/C16H21N5O2/c1-10(2)21-14-11(7-19-21)5-4-6-13(14)20-16(22)15-17-8-12(23-3)9-18-15/h7-10,13H,4-6H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyDOZJAMIFHJJMFZ-ZDUSSCGKSA-N
MW315.38 g/mol
LogP2.07
Rot. Bonds4

About 5-methoxy-N-[(7S)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]pyrimidine-2-carboxamide

5-methoxy-N-[(7S)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]pyrimidine-2-carboxamide (PubChem CID 164641333) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-methoxy-N-[(7S)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[(7S)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]pyrimidine-2-carboxamide
PubChem CID164641333
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name5-methoxy-N-[(7S)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]pyrimidine-2-carboxamide
SMILESCOc1cnc(C(=O)N[C@H]2CCCc3cnn(C(C)C)c32)nc1
InChIInChI=1S/C16H21N5O2/c1-10(2)21-14-11(7-19-21)5-4-6-13(14)20-16(22)15-17-8-12(23-3)9-18-15/h7-10,13H,4-6H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyDOZJAMIFHJJMFZ-ZDUSSCGKSA-N
XLogP2.07
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(7S)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]pyrimidine-2-carboxamide?
The IUPAC name of 5-methoxy-N-[(7S)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]pyrimidine-2-carboxamide (CID 164641333) is 5-methoxy-N-[(7S)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-[(7S)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]pyrimidine-2-carboxamide?
The canonical SMILES for 5-methoxy-N-[(7S)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]pyrimidine-2-carboxamide is COc1cnc(C(=O)N[C@H]2CCCc3cnn(C(C)C)c32)nc1.
What is the InChIKey of 5-methoxy-N-[(7S)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]pyrimidine-2-carboxamide?
The InChIKey is DOZJAMIFHJJMFZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10(2)21-14-11(7-19-21)5-4-6-13(14)20-16(22)15-17-8-12(23-3)9-18-15/h7-10,13H,4-6H2,1-3H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 5-methoxy-N-[(7S)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]pyrimidine-2-carboxamide?
5-methoxy-N-[(7S)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]pyrimidine-2-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(7S)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 164641333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).