8-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C25H24ClFN4O3 — CID 122657506

IUPAC8-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)N(CC(=O)NCC2CC2)Cc2ccccc2F)c2c1-c1cc(Cl)ccc1OC2
InChIInChI=1S/C25H24ClFN4O3/c1-30-24-18-10-17(26)8-9-21(18)34-14-19(24)23(29-30)25(33)31(12-16-4-2-3-5-20(16)27)13-22(32)28-11-15-6-7-15/h2-5,8-10,15H,6-7,11-14H2,1H3,(H,28,32)
InChIKeyCQPYMJNUAFOXPI-UHFFFAOYSA-N
MW482.94 g/mol
LogP3.94
Rot. Bonds7

About 8-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

8-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 122657506) has the molecular formula C25H24ClFN4O3 and a molecular weight of 482.94 g/mol. Its IUPAC name is 8-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID122657506
Molecular FormulaC25H24ClFN4O3
Molecular Weight482.94 g/mol
Exact Mass482.15
IUPAC Name8-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)N(CC(=O)NCC2CC2)Cc2ccccc2F)c2c1-c1cc(Cl)ccc1OC2
InChIInChI=1S/C25H24ClFN4O3/c1-30-24-18-10-17(26)8-9-21(18)34-14-19(24)23(29-30)25(33)31(12-16-4-2-3-5-20(16)27)13-22(32)28-11-15-6-7-15/h2-5,8-10,15H,6-7,11-14H2,1H3,(H,28,32)
InChIKeyCQPYMJNUAFOXPI-UHFFFAOYSA-N
XLogP3.94
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.94
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide with MolForge

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Related Compounds

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CID 44448561
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CID 44448562
CID 44448562
CID 44448597
CID 44448597
CID 44448598
CID 44448598
CID 44448599
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CID 44568702
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CID 44568704
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CID 44568755

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 8-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 122657506) is 8-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 8-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 8-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is Cn1nc(C(=O)N(CC(=O)NCC2CC2)Cc2ccccc2F)c2c1-c1cc(Cl)ccc1OC2.
What is the InChIKey of 8-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is CQPYMJNUAFOXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN4O3/c1-30-24-18-10-17(26)8-9-21(18)34-14-19(24)23(29-30)25(33)31(12-16-4-2-3-5-20(16)27)13-22(32)28-11-15-6-7-15/h2-5,8-10,15H,6-7,11-14H2,1H3,(H,28,32).
What are the key properties of 8-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
8-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 482.94 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 122657506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).