5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H25N7O3 — CID 148847934

IUPAC5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc3c2OCCC3)nc2c(C(=O)N[C@@H]3CCN(C)C3=O)cnn12
InChIInChI=1S/C22H25N7O3/c1-23-18-11-17(25-15-7-3-5-13-6-4-10-32-19(13)15)27-20-14(12-24-29(18)20)21(30)26-16-8-9-28(2)22(16)31/h3,5,7,11-12,16,23H,4,6,8-10H2,1-2H3,(H,25,27)(H,26,30)/t16-/m1/s1
InChIKeyOWVQDCLKFMZDNW-MRXNPFEDSA-N
MW435.49 g/mol
LogP1.80
Rot. Bonds5

About 5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 148847934) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID148847934
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC Name5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc3c2OCCC3)nc2c(C(=O)N[C@@H]3CCN(C)C3=O)cnn12
InChIInChI=1S/C22H25N7O3/c1-23-18-11-17(25-15-7-3-5-13-6-4-10-32-19(13)15)27-20-14(12-24-29(18)20)21(30)26-16-8-9-28(2)22(16)31/h3,5,7,11-12,16,23H,4,6,8-10H2,1-2H3,(H,25,27)(H,26,30)/t16-/m1/s1
InChIKeyOWVQDCLKFMZDNW-MRXNPFEDSA-N
XLogP1.80
TPSA112.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 148847934) is 5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccc3c2OCCC3)nc2c(C(=O)N[C@@H]3CCN(C)C3=O)cnn12.
What is the InChIKey of 5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OWVQDCLKFMZDNW-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-23-18-11-17(25-15-7-3-5-13-6-4-10-32-19(13)15)27-20-14(12-24-29(18)20)21(30)26-16-8-9-28(2)22(16)31/h3,5,7,11-12,16,23H,4,6,8-10H2,1-2H3,(H,25,27)(H,26,30)/t16-/m1/s1.
What are the key properties of 5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 148847934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).