2-amino-N-(4-methoxy-3-pyridinyl)-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H22N8O2 — CID 90448299

IUPAC2-amino-N-(4-methoxy-3-pyridinyl)-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccncc1NC(=O)c1c(N)nn2ccc(NCC3CCCN3)nc12
InChIInChI=1S/C18H22N8O2/c1-28-13-4-7-20-10-12(13)23-18(27)15-16(19)25-26-8-5-14(24-17(15)26)22-9-11-3-2-6-21-11/h4-5,7-8,10-11,21H,2-3,6,9H2,1H3,(H2,19,25)(H,22,24)(H,23,27)
InChIKeyFBDBKWUNFQXDFK-UHFFFAOYSA-N
MW382.43 g/mol
LogP1.13
Rot. Bonds6

About 2-amino-N-(4-methoxy-3-pyridinyl)-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-(4-methoxy-3-pyridinyl)-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90448299) has the molecular formula C18H22N8O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is 2-amino-N-(4-methoxy-3-pyridinyl)-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-methoxy-3-pyridinyl)-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90448299
Molecular FormulaC18H22N8O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC Name2-amino-N-(4-methoxy-3-pyridinyl)-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccncc1NC(=O)c1c(N)nn2ccc(NCC3CCCN3)nc12
InChIInChI=1S/C18H22N8O2/c1-28-13-4-7-20-10-12(13)23-18(27)15-16(19)25-26-8-5-14(24-17(15)26)22-9-11-3-2-6-21-11/h4-5,7-8,10-11,21H,2-3,6,9H2,1H3,(H2,19,25)(H,22,24)(H,23,27)
InChIKeyFBDBKWUNFQXDFK-UHFFFAOYSA-N
XLogP1.13
TPSA131.49 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

2-amino-5-[2-(dimethylamino)ethylamino]-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-[(1-methylpyrrolidin-2-yl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(oxetan-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(propylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158387752
2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86304964
2-amino-N-[4-(oxan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86304793
2-amino-N-(4-cyclobutyloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(cyclopropylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-ethoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-propan-2-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 161091461
5-amino-N-(4-cyclohexyloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide
CID 129166497
2-amino-5-[2-(1-cyclopropylethyl)-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155383540
3-methoxy-N-(2-pyrrolidin-2-ylethyl)pyridine-4-carboxamide
CID 105064206
1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 62539868
2-amino-N-[4-(1,1-dioxothian-4-yl)oxy-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199105
2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70495976
piperidin-2-ylmethyl N-(2-methoxyphenyl)carbamate
CID 79337607
3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 79841307

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methoxy-3-pyridinyl)-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-(4-methoxy-3-pyridinyl)-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90448299) is 2-amino-N-(4-methoxy-3-pyridinyl)-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(4-methoxy-3-pyridinyl)-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-(4-methoxy-3-pyridinyl)-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccncc1NC(=O)c1c(N)nn2ccc(NCC3CCCN3)nc12.
What is the InChIKey of 2-amino-N-(4-methoxy-3-pyridinyl)-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FBDBKWUNFQXDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O2/c1-28-13-4-7-20-10-12(13)23-18(27)15-16(19)25-26-8-5-14(24-17(15)26)22-9-11-3-2-6-21-11/h4-5,7-8,10-11,21H,2-3,6,9H2,1H3,(H2,19,25)(H,22,24)(H,23,27).
What are the key properties of 2-amino-N-(4-methoxy-3-pyridinyl)-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-(4-methoxy-3-pyridinyl)-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 382.43 g/mol, XLogP of 1.13, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methoxy-3-pyridinyl)-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90448299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).