N-[4-[(1R,3S,5S)-3-hydrazinyl-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C22H29N7O — CID 118644332

IUPACN-[4-[(1R,3S,5S)-3-hydrazinyl-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cnn2ccc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)C[C@H](NN)C3)nc12
InChIInChI=1S/C22H29N7O/c1-13(2)18-11-25-29-7-5-19(26-21(18)29)22(30)27-20-12-24-6-4-17(20)15-8-14(3)9-16(10-15)28-23/h4-7,11-16,28H,8-10,23H2,1-3H3,(H,27,30)/t14-,15+,16-/m0/s1
InChIKeyKJVAVVWMFDTMDP-XHSDSOJGSA-N
MW407.52 g/mol
LogP3.24
Rot. Bonds5

About N-[4-[(1R,3S,5S)-3-hydrazinyl-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-[4-[(1R,3S,5S)-3-hydrazinyl-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 118644332) has the molecular formula C22H29N7O and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[4-[(1R,3S,5S)-3-hydrazinyl-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(1R,3S,5S)-3-hydrazinyl-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID118644332
Molecular FormulaC22H29N7O
Molecular Weight407.52 g/mol
Exact Mass407.24
IUPAC NameN-[4-[(1R,3S,5S)-3-hydrazinyl-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cnn2ccc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)C[C@H](NN)C3)nc12
InChIInChI=1S/C22H29N7O/c1-13(2)18-11-25-29-7-5-19(26-21(18)29)22(30)27-20-12-24-6-4-17(20)15-8-14(3)9-16(10-15)28-23/h4-7,11-16,28H,8-10,23H2,1-3H3,(H,27,30)/t14-,15+,16-/m0/s1
InChIKeyKJVAVVWMFDTMDP-XHSDSOJGSA-N
XLogP3.24
TPSA110.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R,3S,5S)-3-hydrazinyl-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[4-[(1R,3S,5S)-3-hydrazinyl-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 118644332) is N-[4-[(1R,3S,5S)-3-hydrazinyl-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-[(1R,3S,5S)-3-hydrazinyl-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[4-[(1R,3S,5S)-3-hydrazinyl-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is CC(C)c1cnn2ccc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)C[C@H](NN)C3)nc12.
What is the InChIKey of N-[4-[(1R,3S,5S)-3-hydrazinyl-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is KJVAVVWMFDTMDP-XHSDSOJGSA-N. The full InChI is InChI=1S/C22H29N7O/c1-13(2)18-11-25-29-7-5-19(26-21(18)29)22(30)27-20-12-24-6-4-17(20)15-8-14(3)9-16(10-15)28-23/h4-7,11-16,28H,8-10,23H2,1-3H3,(H,27,30)/t14-,15+,16-/m0/s1.
What are the key properties of N-[4-[(1R,3S,5S)-3-hydrazinyl-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-[4-[(1R,3S,5S)-3-hydrazinyl-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R,3S,5S)-3-hydrazinyl-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 118644332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).