3-cyclopropyl-7-N-[(2-fluoro-4-pyridin-2-ylphenyl)methyl]-5-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine

C27H30FN7 — CID 166529651

IUPAC3-cyclopropyl-7-N-[(2-fluoro-4-pyridin-2-ylphenyl)methyl]-5-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESFc1cc(-c2ccccn2)ccc1CNc1cc(NCC2CCNCC2)nc2c(C3CC3)cnn12
InChIInChI=1S/C27H30FN7/c28-23-13-20(24-3-1-2-10-30-24)6-7-21(23)16-32-26-14-25(31-15-18-8-11-29-12-9-18)34-27-22(19-4-5-19)17-33-35(26)27/h1-3,6-7,10,13-14,17-19,29,32H,4-5,8-9,11-12,15-16H2,(H,31,34)
InChIKeySZMNWXGWTGKAHM-UHFFFAOYSA-N
MW471.58 g/mol
LogP4.83
Rot. Bonds8

About 3-cyclopropyl-7-N-[(2-fluoro-4-pyridin-2-ylphenyl)methyl]-5-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine

3-cyclopropyl-7-N-[(2-fluoro-4-pyridin-2-ylphenyl)methyl]-5-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 166529651) has the molecular formula C27H30FN7 and a molecular weight of 471.58 g/mol. Its IUPAC name is 3-cyclopropyl-7-N-[(2-fluoro-4-pyridin-2-ylphenyl)methyl]-5-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name3-cyclopropyl-7-N-[(2-fluoro-4-pyridin-2-ylphenyl)methyl]-5-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID166529651
Molecular FormulaC27H30FN7
Molecular Weight471.58 g/mol
Exact Mass471.25
IUPAC Name3-cyclopropyl-7-N-[(2-fluoro-4-pyridin-2-ylphenyl)methyl]-5-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESFc1cc(-c2ccccn2)ccc1CNc1cc(NCC2CCNCC2)nc2c(C3CC3)cnn12
InChIInChI=1S/C27H30FN7/c28-23-13-20(24-3-1-2-10-30-24)6-7-21(23)16-32-26-14-25(31-15-18-8-11-29-12-9-18)34-27-22(19-4-5-19)17-33-35(26)27/h1-3,6-7,10,13-14,17-19,29,32H,4-5,8-9,11-12,15-16H2,(H,31,34)
InChIKeySZMNWXGWTGKAHM-UHFFFAOYSA-N
XLogP4.83
TPSA79.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-N-[(2-fluoro-4-pyridin-2-ylphenyl)methyl]-5-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 3-cyclopropyl-7-N-[(2-fluoro-4-pyridin-2-ylphenyl)methyl]-5-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 166529651) is 3-cyclopropyl-7-N-[(2-fluoro-4-pyridin-2-ylphenyl)methyl]-5-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 3-cyclopropyl-7-N-[(2-fluoro-4-pyridin-2-ylphenyl)methyl]-5-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 3-cyclopropyl-7-N-[(2-fluoro-4-pyridin-2-ylphenyl)methyl]-5-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine is Fc1cc(-c2ccccn2)ccc1CNc1cc(NCC2CCNCC2)nc2c(C3CC3)cnn12.
What is the InChIKey of 3-cyclopropyl-7-N-[(2-fluoro-4-pyridin-2-ylphenyl)methyl]-5-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is SZMNWXGWTGKAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7/c28-23-13-20(24-3-1-2-10-30-24)6-7-21(23)16-32-26-14-25(31-15-18-8-11-29-12-9-18)34-27-22(19-4-5-19)17-33-35(26)27/h1-3,6-7,10,13-14,17-19,29,32H,4-5,8-9,11-12,15-16H2,(H,31,34).
What are the key properties of 3-cyclopropyl-7-N-[(2-fluoro-4-pyridin-2-ylphenyl)methyl]-5-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
3-cyclopropyl-7-N-[(2-fluoro-4-pyridin-2-ylphenyl)methyl]-5-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 471.58 g/mol, XLogP of 4.83, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-N-[(2-fluoro-4-pyridin-2-ylphenyl)methyl]-5-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 166529651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).