1-[4-[(5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carbonyl]-N-pyrrolidin-3-ylcyclopropane-1-carboxamide

C24H35N7O2 — CID 171481422

IUPAC1-[4-[(5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carbonyl]-N-pyrrolidin-3-ylcyclopropane-1-carboxamide
SMILESCc1cc(NC2CCN(C(=O)C3(C(=O)NC4CCNC4)CC3)CC2)n2ncc(C(C)C)c2n1
InChIInChI=1S/C24H35N7O2/c1-15(2)19-14-26-31-20(12-16(3)27-21(19)31)28-17-5-10-30(11-6-17)23(33)24(7-8-24)22(32)29-18-4-9-25-13-18/h12,14-15,17-18,25,28H,4-11,13H2,1-3H3,(H,29,32)
InChIKeyRCQHZYLTNCUXRI-UHFFFAOYSA-N
MW453.59 g/mol
LogP1.82
Rot. Bonds6

About 1-[4-[(5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carbonyl]-N-pyrrolidin-3-ylcyclopropane-1-carboxamide

1-[4-[(5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carbonyl]-N-pyrrolidin-3-ylcyclopropane-1-carboxamide (PubChem CID 171481422) has the molecular formula C24H35N7O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 1-[4-[(5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carbonyl]-N-pyrrolidin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carbonyl]-N-pyrrolidin-3-ylcyclopropane-1-carboxamide
PubChem CID171481422
Molecular FormulaC24H35N7O2
Molecular Weight453.59 g/mol
Exact Mass453.29
IUPAC Name1-[4-[(5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carbonyl]-N-pyrrolidin-3-ylcyclopropane-1-carboxamide
SMILESCc1cc(NC2CCN(C(=O)C3(C(=O)NC4CCNC4)CC3)CC2)n2ncc(C(C)C)c2n1
InChIInChI=1S/C24H35N7O2/c1-15(2)19-14-26-31-20(12-16(3)27-21(19)31)28-17-5-10-30(11-6-17)23(33)24(7-8-24)22(32)29-18-4-9-25-13-18/h12,14-15,17-18,25,28H,4-11,13H2,1-3H3,(H,29,32)
InChIKeyRCQHZYLTNCUXRI-UHFFFAOYSA-N
XLogP1.82
TPSA103.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carbonyl]-N-pyrrolidin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[(5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carbonyl]-N-pyrrolidin-3-ylcyclopropane-1-carboxamide (CID 171481422) is 1-[4-[(5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carbonyl]-N-pyrrolidin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[(5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carbonyl]-N-pyrrolidin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[(5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carbonyl]-N-pyrrolidin-3-ylcyclopropane-1-carboxamide is Cc1cc(NC2CCN(C(=O)C3(C(=O)NC4CCNC4)CC3)CC2)n2ncc(C(C)C)c2n1.
What is the InChIKey of 1-[4-[(5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carbonyl]-N-pyrrolidin-3-ylcyclopropane-1-carboxamide?
The InChIKey is RCQHZYLTNCUXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7O2/c1-15(2)19-14-26-31-20(12-16(3)27-21(19)31)28-17-5-10-30(11-6-17)23(33)24(7-8-24)22(32)29-18-4-9-25-13-18/h12,14-15,17-18,25,28H,4-11,13H2,1-3H3,(H,29,32).
What are the key properties of 1-[4-[(5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carbonyl]-N-pyrrolidin-3-ylcyclopropane-1-carboxamide?
1-[4-[(5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carbonyl]-N-pyrrolidin-3-ylcyclopropane-1-carboxamide has a molecular weight of 453.59 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carbonyl]-N-pyrrolidin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 171481422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).