N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H23N7O — CID 58056341

IUPACN-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNCC1CCN(c2cc3ncccc3cc2NC(=O)c2cnn3cccnc23)CC1
InChIInChI=1S/C22H23N7O/c23-13-15-4-9-28(10-5-15)20-12-18-16(3-1-6-24-18)11-19(20)27-22(30)17-14-26-29-8-2-7-25-21(17)29/h1-3,6-8,11-12,14-15H,4-5,9-10,13,23H2,(H,27,30)
InChIKeyBFBOXYLGKAPSFY-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.70
Rot. Bonds4

About N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58056341) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58056341
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC NameN-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNCC1CCN(c2cc3ncccc3cc2NC(=O)c2cnn3cccnc23)CC1
InChIInChI=1S/C22H23N7O/c23-13-15-4-9-28(10-5-15)20-12-18-16(3-1-6-24-18)11-19(20)27-22(30)17-14-26-29-8-2-7-25-21(17)29/h1-3,6-8,11-12,14-15H,4-5,9-10,13,23H2,(H,27,30)
InChIKeyBFBOXYLGKAPSFY-UHFFFAOYSA-N
XLogP2.70
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

Ldn-212854
CID 60182388
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
5-(2-phenylethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58182164
US10774086, Example 9
CID 134551591
US10774086, Example 12
CID 134551927
1-(4-Piperidylmethyl)-3-(3-quinolyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 68263732
5-(piperidin-4-ylmethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71624488
N-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-5-(piperidin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71624601
N-[5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-5-(piperidin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71624602
N-[5-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(2-piperidin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71624603
N-[5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(piperidin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71624713
Flt3/itd-IN-2
CID 163408821

Frequently Asked Questions

What is the IUPAC name of N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58056341) is N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is NCC1CCN(c2cc3ncccc3cc2NC(=O)c2cnn3cccnc23)CC1.
What is the InChIKey of N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BFBOXYLGKAPSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c23-13-15-4-9-28(10-5-15)20-12-18-16(3-1-6-24-18)11-19(20)27-22(30)17-14-26-29-8-2-7-25-21(17)29/h1-3,6-8,11-12,14-15H,4-5,9-10,13,23H2,(H,27,30).
What are the key properties of N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58056341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).