N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H30N8O3 — CID 137441551

IUPACN-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncccc1Nc1cc(NCCCN2CCOCC2)n2ncc(C(=O)NC3CC3)c2n1
InChIInChI=1S/C23H30N8O3/c1-33-23-18(4-2-7-25-23)28-19-14-20(24-8-3-9-30-10-12-34-13-11-30)31-21(29-19)17(15-26-31)22(32)27-16-5-6-16/h2,4,7,14-16,24H,3,5-6,8-13H2,1H3,(H,27,32)(H,28,29)
InChIKeyXTOWDJGTTNTJMO-UHFFFAOYSA-N
MW466.55 g/mol
LogP1.90
Rot. Bonds10

About N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137441551) has the molecular formula C23H30N8O3 and a molecular weight of 466.55 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137441551
Molecular FormulaC23H30N8O3
Molecular Weight466.55 g/mol
Exact Mass466.24
IUPAC NameN-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncccc1Nc1cc(NCCCN2CCOCC2)n2ncc(C(=O)NC3CC3)c2n1
InChIInChI=1S/C23H30N8O3/c1-33-23-18(4-2-7-25-23)28-19-14-20(24-8-3-9-30-10-12-34-13-11-30)31-21(29-19)17(15-26-31)22(32)27-16-5-6-16/h2,4,7,14-16,24H,3,5-6,8-13H2,1H3,(H,27,32)(H,28,29)
InChIKeyXTOWDJGTTNTJMO-UHFFFAOYSA-N
XLogP1.90
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137441551) is N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ncccc1Nc1cc(NCCCN2CCOCC2)n2ncc(C(=O)NC3CC3)c2n1.
What is the InChIKey of N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XTOWDJGTTNTJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O3/c1-33-23-18(4-2-7-25-23)28-19-14-20(24-8-3-9-30-10-12-34-13-11-30)31-21(29-19)17(15-26-31)22(32)27-16-5-6-16/h2,4,7,14-16,24H,3,5-6,8-13H2,1H3,(H,27,32)(H,28,29).
What are the key properties of N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 466.55 g/mol, XLogP of 1.90, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137441551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).